HMDB0005036 RDKit 3D Fluticasone propionate 65 68 0 0 0 0 0 0 0 0999 V2000 5.8978 1.8303 -2.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5219 2.1672 -1.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 0.9963 -0.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5628 -0.0810 -0.9196 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 1.0462 -0.4227 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0877 -0.0907 0.2015 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9631 -0.4854 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9519 0.2039 1.6233 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7013 -1.9263 2.3463 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9528 -2.0931 3.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8539 -1.0694 4.5472 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -1.3093 -0.7332 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9118 -0.8320 -2.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7588 -1.9885 -0.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0838 -0.7911 -0.2822 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4801 -0.8790 0.2164 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1584 -2.0330 -0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6461 -1.9824 -0.5195 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0900 -2.5853 -1.6750 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1805 -0.5908 -0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2402 -0.3631 -1.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8433 0.9515 -1.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8480 1.1524 -2.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2268 1.9992 -0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1654 1.7563 0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5228 0.4464 0.3377 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5909 -0.0995 1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0905 0.4584 -0.1577 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1624 0.4663 -1.5532 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3152 1.6292 0.2810 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6677 2.1274 1.5549 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1626 1.5220 0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 0.1529 0.6194 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4969 -0.0779 2.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0607 0.7148 -2.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0306 2.2602 -3.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6624 2.2239 -1.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5927 3.0456 -0.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8895 2.5346 -2.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9909 -2.0341 3.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8142 -3.0551 4.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9368 -1.9531 -0.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0373 -1.3170 -2.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 0.2795 -2.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8076 -1.1404 -2.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4339 -2.6833 -1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8987 -2.4797 0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1014 -0.3059 -1.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5002 -0.9888 1.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7601 -2.2057 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8519 -2.9581 0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0976 -2.5180 0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6887 -1.1763 -1.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6464 3.0220 -0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7727 2.6301 0.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 0.3072 2.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6479 0.0822 2.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4787 -1.1997 1.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5831 2.4828 -0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5163 3.0895 1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 2.2478 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5503 1.8192 -0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 0.2294 2.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3128 -1.1415 2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 0.5599 2.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 6 5 1 6 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 6 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 1 1 26 28 1 0 28 29 1 6 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 1 33 6 1 0 33 15 1 0 28 16 1 0 26 20 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 10 40 1 0 10 41 1 0 12 42 1 6 13 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 6 16 49 1 1 17 50 1 0 17 51 1 0 18 52 1 1 21 53 1 0 24 54 1 0 25 55 1 0 27 56 1 0 27 57 1 0 27 58 1 0 30 59 1 6 31 60 1 0 32 61 1 0 32 62 1 0 34 63 1 0 34 64 1 0 34 65 1 0 M END